# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgPd # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-08-31 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan 4.391806827e+06 4.391806827e+06 4.383902496e+06 4.383902496e+06 nan nan 0.70 nan nan nan nan 3.925617747e+06 3.925617747e+06 3.918421265e+06 3.918421265e+06 nan nan 0.72 nan nan nan nan 3.510138382e+06 3.510138382e+06 3.503655386e+06 3.503655386e+06 nan nan 0.74 nan nan nan nan 3.138705633e+06 3.138705633e+06 3.132903475e+06 3.132903475e+06 nan nan 0.76 nan nan nan nan 2.805728506e+06 2.805728506e+06 2.800497607e+06 2.800497607e+06 nan nan 0.78 4.478209870e+06 4.478209870e+06 nan nan 2.506386368e+06 2.506386368e+06 2.501625271e+06 2.501625271e+06 nan nan 0.80 4.060114810e+06 4.060114810e+06 nan nan 2.236604845e+06 2.236604845e+06 2.232218900e+06 2.232218900e+06 nan nan 0.82 3.682089899e+06 3.682089899e+06 nan nan 1.992820291e+06 1.992820291e+06 1.988785575e+06 1.988785575e+06 nan nan 0.84 3.339492591e+06 3.339492591e+06 nan nan 1.771974261e+06 1.771974261e+06 1.768283991e+06 1.768283991e+06 nan nan 0.86 3.028256357e+06 3.028256357e+06 4.287709250e+06 4.287709250e+06 1.571460357e+06 1.571460357e+06 1.568117060e+06 1.568117060e+06 nan nan 0.88 2.744922238e+06 2.744922238e+06 3.918374452e+06 3.918374452e+06 1.389036704e+06 1.389036704e+06 1.386053887e+06 1.386053887e+06 4.181110638e+06 4.181110638e+06 0.90 2.486486637e+06 2.486486637e+06 3.581416876e+06 3.581416876e+06 1.222765668e+06 1.222765668e+06 1.220090050e+06 1.220090050e+06 3.826351218e+06 3.826351218e+06 0.92 2.250317746e+06 2.250317746e+06 3.273378989e+06 3.273378989e+06 1.070907242e+06 1.070907242e+06 1.068491298e+06 1.068491298e+06 3.501996676e+06 3.501996676e+06 0.94 2.034058237e+06 2.034058237e+06 2.991229058e+06 2.991229058e+06 9.319686427e+05 9.319686427e+05 9.297647262e+05 9.297647262e+05 3.204875315e+06 3.204875315e+06 0.96 1.835656619e+06 1.835656619e+06 2.732319923e+06 2.732319923e+06 8.046362220e+05 8.046362220e+05 8.025960233e+05 8.025960233e+05 2.932228379e+06 2.932228379e+06 0.98 1.653353753e+06 1.653353753e+06 2.494322666e+06 2.494322666e+06 6.877249715e+05 6.877249715e+05 6.858231266e+05 6.858231266e+05 2.681593330e+06 2.681593330e+06 1.00 1.485585544e+06 1.485585544e+06 2.275169128e+06 2.275169128e+06 5.801947236e+05 5.801947236e+05 5.784326583e+05 5.784326583e+05 2.450819708e+06 2.450819708e+06 1.02 1.330925626e+06 1.330925626e+06 2.073075567e+06 2.073075567e+06 4.811504004e+05 4.811504004e+05 4.795283695e+05 4.795283695e+05 2.238015660e+06 2.238015660e+06 1.04 1.188148454e+06 1.188148454e+06 1.886430980e+06 1.886430980e+06 3.902719238e+05 3.902719238e+05 3.888216642e+05 3.888216642e+05 2.041494438e+06 2.041494438e+06 1.06 1.056132459e+06 1.056132459e+06 1.713806826e+06 1.713806826e+06 3.081603057e+05 3.081603057e+05 3.068863555e+05 3.068863555e+05 1.859741576e+06 1.859741576e+06 1.08 9.339104735e+05 9.339104735e+05 1.553949828e+06 1.553949828e+06 2.369569666e+05 2.369569666e+05 2.359744343e+05 2.359744343e+05 1.691404958e+06 1.691404958e+06 1.10 8.206150999e+05 8.206150999e+05 1.405677505e+06 1.405677505e+06 1.824099290e+05 1.824099290e+05 1.816936818e+05 1.816936818e+05 1.535264784e+06 1.535264784e+06 1.12 7.154689577e+05 7.154689577e+05 1.267984705e+06 1.267984705e+06 1.408028870e+05 1.408028870e+05 1.402878093e+05 1.402878093e+05 1.390245056e+06 1.390245056e+06 1.14 6.177541982e+05 6.177541982e+05 1.139979952e+06 1.139979952e+06 1.089720368e+05 1.089720368e+05 1.086003962e+05 1.086003962e+05 1.255396777e+06 1.255396777e+06 1.16 5.268584206e+05 5.268584206e+05 1.020835569e+06 1.020835569e+06 8.454754104e+04 8.454754104e+04 8.427850494e+04 8.427850494e+04 1.129865117e+06 1.129865117e+06 1.18 4.422124337e+05 4.422124337e+05 9.098161993e+05 9.098161993e+05 6.574873481e+04 6.574873481e+04 6.555280997e+04 6.555280997e+04 1.012894080e+06 1.012894080e+06 1.20 3.639458247e+05 3.639458247e+05 8.062677826e+05 8.062677826e+05 5.124304663e+04 5.124304663e+04 5.109718482e+04 5.109718482e+04 9.037856748e+05 9.037856748e+05 1.22 2.923694475e+05 2.923694475e+05 7.095753969e+05 7.095753969e+05 4.002222754e+04 4.002222754e+04 3.990947883e+04 3.990947883e+04 8.019018347e+05 8.019018347e+05 1.24 2.310126737e+05 2.310126737e+05 6.191650720e+05 6.191650720e+05 3.131777633e+04 3.131777633e+04 3.122947844e+04 3.122947844e+04 7.066619572e+05 7.066619572e+05 1.26 1.828840281e+05 1.828840281e+05 5.345572044e+05 5.345572044e+05 2.455047438e+04 2.455047438e+04 2.448095459e+04 2.448095459e+04 6.175466727e+05 6.175466727e+05 1.28 1.450567687e+05 1.450567687e+05 4.553209703e+05 4.553209703e+05 1.927876442e+04 1.927876442e+04 1.922375654e+04 1.922375654e+04 5.340822142e+05 5.340822142e+05 1.30 1.152602444e+05 1.152602444e+05 3.812152953e+05 3.812152953e+05 1.516433557e+04 1.516433557e+04 1.512030311e+04 1.512030311e+04 4.558373572e+05 4.558373572e+05 1.32 9.173530355e+04 9.173530355e+04 3.128562480e+05 3.128562480e+05 1.194571830e+04 1.194571830e+04 1.191071712e+04 1.191071712e+04 3.824557144e+05 3.824557144e+05 1.34 7.312066661e+04 7.312066661e+04 2.516059239e+05 2.516059239e+05 9.421537198e+03 9.421537198e+03 9.395042310e+03 9.395042310e+03 3.144876862e+05 3.144876862e+05 1.36 5.836235256e+04 5.836235256e+04 2.022701999e+05 2.022701999e+05 7.439185476e+03 7.439185476e+03 7.419800903e+03 7.419800903e+03 2.535432294e+05 2.535432294e+05 1.38 4.664287291e+04 4.664287291e+04 1.628529577e+05 1.628529577e+05 5.880322483e+03 5.880322483e+03 5.866532316e+03 5.866532316e+03 2.043301447e+05 2.043301447e+05 1.40 3.732258731e+04 3.732258731e+04 1.313052171e+05 1.313052171e+05 4.652941164e+03 4.652941164e+03 4.643246649e+03 4.643246649e+03 1.649139250e+05 1.649139250e+05 1.42 2.989991638e+04 2.989991638e+04 1.060150857e+05 1.060150857e+05 3.685394108e+03 3.685394108e+03 3.678628669e+03 3.678628669e+03 1.332921554e+05 1.332921554e+05 1.44 2.398022176e+04 2.398022176e+04 8.570463365e+04 8.570463365e+04 2.921552282e+03 2.921552282e+03 2.917023641e+03 2.917023641e+03 1.078770762e+05 1.078770762e+05 1.46 1.925288047e+04 1.925288047e+04 6.936849415e+04 6.936849415e+04 2.317856934e+03 2.317856934e+03 2.315051926e+03 2.315051926e+03 8.741265035e+04 8.741265035e+04 1.48 1.547313422e+04 1.547313422e+04 5.621103297e+04 5.621103297e+04 1.840297374e+03 1.840297374e+03 1.838651852e+03 1.838651852e+03 7.091009414e+04 7.091009414e+04 1.50 1.244723493e+04 1.244723493e+04 4.559766688e+04 4.559766688e+04 1.462184808e+03 1.462184808e+03 1.461249611e+03 1.461249611e+03 5.758332613e+04 5.758332613e+04 1.52 1.002099135e+04 1.002099135e+04 3.702551091e+04 3.702551091e+04 1.162566682e+03 1.162566682e+03 1.162044363e+03 1.162044363e+03 4.680761583e+04 4.680761583e+04 1.54 8.072592588e+03 8.072592588e+03 3.009404989e+04 3.009404989e+04 9.249677383e+02 9.249677383e+02 9.246477366e+02 9.246477366e+02 3.808371575e+04 3.808371575e+04 1.56 6.506616991e+03 6.506616991e+03 2.448254123e+04 2.448254123e+04 7.363779567e+02 7.363779567e+02 7.361436838e+02 7.361436838e+02 3.101294150e+04 3.101294150e+04 1.58 5.247069552e+03 5.247069552e+03 1.993327551e+04 1.993327551e+04 5.865045607e+02 5.865045607e+02 5.863243644e+02 5.863243644e+02 2.527571513e+04 2.527571513e+04 1.60 4.233286751e+03 4.233286751e+03 1.623939731e+04 1.623939731e+04 4.672565581e+02 4.672565581e+02 4.671311804e+02 4.671311804e+02 2.061530067e+04 2.061530067e+04 1.62 3.416797146e+03 3.416797146e+03 1.323747520e+04 1.323747520e+04 3.723342799e+02 3.723342799e+02 3.722625167e+02 3.722625167e+02 1.682503901e+04 1.682503901e+04 1.64 2.758551510e+03 2.758551510e+03 1.079595410e+04 1.079595410e+04 2.967526942e+02 2.967526942e+02 2.967273624e+02 2.967273624e+02 1.373938277e+04 1.373938277e+04 1.66 2.227475535e+03 2.227475535e+03 8.808234768e+03 8.808234768e+03 2.365531695e+02 2.365531695e+02 2.365553080e+02 2.365553080e+02 1.122545866e+04 1.122545866e+04 1.68 1.798844604e+03 1.798844604e+03 7.188907702e+03 7.188907702e+03 1.885905802e+02 1.885905802e+02 1.886057631e+02 1.886057631e+02 9.175664904e+03 9.175664904e+03 1.70 1.452790753e+03 1.452790753e+03 5.869016585e+03 5.869016585e+03 1.503668153e+02 1.503668153e+02 1.503858790e+02 1.503858790e+02 7.503171745e+03 7.503171745e+03 1.72 1.173320508e+03 1.173320508e+03 4.792691513e+03 4.792691513e+03 1.198954216e+02 1.198954216e+02 1.199113655e+02 1.199113655e+02 6.137757998e+03 6.137757998e+03 1.74 9.475692182e+02 9.475692182e+02 3.914575493e+03 3.914575493e+03 9.559394458e+01 9.559394458e+01 9.560166700e+01 9.560166700e+01 5.022334224e+03 5.022334224e+03 1.76 7.651809531e+02 7.651809531e+02 3.197791859e+03 3.197791859e+03 7.620025550e+01 7.620025550e+01 7.620062077e+01 7.620062077e+01 4.110394384e+03 4.110394384e+03 1.78 6.178072327e+02 6.178072327e+02 2.612507165e+03 2.612507165e+03 6.071722167e+01 6.071722167e+01 6.071157210e+01 6.071157210e+01 3.364465307e+03 3.364465307e+03 1.80 4.986662385e+02 4.986662385e+02 2.134384877e+03 2.134384877e+03 4.834870449e+01 4.834870449e+01 4.833907091e+01 4.833907091e+01 2.754120797e+03 2.754120797e+03 1.82 4.022475144e+02 4.022475144e+02 1.743507719e+03 1.743507719e+03 3.845771448e+01 3.845771448e+01 3.844634841e+01 3.844634841e+01 2.254523136e+03 2.254523136e+03 1.84 3.242321569e+02 3.242321569e+02 1.423918834e+03 1.423918834e+03 3.054366989e+01 3.054366989e+01 3.052993625e+01 3.052993625e+01 1.845453748e+03 1.845453748e+03 1.86 2.611264708e+02 2.611264708e+02 1.162609975e+03 1.162609975e+03 2.420731932e+01 2.420731932e+01 2.419113151e+01 2.419113151e+01 1.510417595e+03 1.510417595e+03 1.88 2.100981349e+02 2.100981349e+02 9.489560745e+02 9.489560745e+02 1.912988861e+01 1.912988861e+01 1.911151474e+01 1.911151474e+01 1.235990795e+03 1.235990795e+03 1.90 1.688502411e+02 1.688502411e+02 7.742715110e+02 7.742715110e+02 1.505695709e+01 1.505695709e+01 1.503684692e+01 1.503684692e+01 1.011199032e+03 1.011199032e+03 1.92 1.355207502e+02 1.355207502e+02 6.314552247e+02 6.314552247e+02 1.178561395e+01 1.178561395e+01 1.176426311e+01 1.176426311e+01 8.270634030e+02 8.270634030e+02 1.94 1.086011508e+02 1.086011508e+02 5.147088775e+02 5.147088775e+02 9.154001493e+00 9.154001493e+00 9.131891027e+00 9.131891027e+00 6.762303985e+02 6.762303985e+02 1.96 8.686856509e+01 8.686856509e+01 4.192909521e+02 4.192909521e+02 7.033037265e+00 7.033037265e+00 7.010609057e+00 7.010609057e+00 5.526680972e+02 5.526680972e+02 1.98 6.933168811e+01 6.933168811e+01 3.413217073e+02 3.413217073e+02 5.319838857e+00 5.319838857e+00 5.297478884e+00 5.297478884e+00 4.514332630e+02 4.514332630e+02 2.00 5.518689799e+01 5.518689799e+01 2.776244807e+02 2.776244807e+02 3.932397847e+00 3.932397847e+00 3.910427147e+00 3.910427147e+00 3.684844891e+02 3.684844891e+02 2.02 4.378043581e+01 4.378043581e+01 2.255804400e+02 2.255804400e+02 2.804894683e+00 2.804894683e+00 2.783712355e+00 2.783712355e+00 3.005360175e+02 3.005360175e+02 2.04 3.458605379e+01 3.458605379e+01 1.830677964e+02 1.830677964e+02 1.885710405e+00 1.885710405e+00 1.865618712e+00 1.865618712e+00 2.448924322e+02 2.448924322e+02 2.06 2.717856532e+01 2.717856532e+01 1.483560532e+02 1.483560532e+02 1.133927726e+00 1.133927726e+00 1.115071519e+00 1.115071519e+00 1.993373601e+02 1.993373601e+02 2.08 2.121358875e+01 2.121358875e+01 1.200268614e+02 1.200268614e+02 5.169051123e-01 5.169051123e-01 4.993246372e-01 4.993246372e-01 1.620417928e+02 1.620417928e+02 2.10 1.641235072e+01 1.641235072e+01 9.691740947e+01 9.691740947e+01 8.614942754e-03 8.614942754e-03 -7.715863926e-03 -7.715863926e-03 1.315199940e+02 1.315199940e+02 2.12 1.254933024e+01 1.254933024e+01 7.807552633e+01 7.807552633e+01 -4.116898100e-01 -4.116898100e-01 -4.268372488e-01 -4.268372488e-01 1.065483170e+02 1.065483170e+02 2.14 9.442212931e+00 9.442212931e+00 6.271971354e+01 6.271971354e+01 -7.605515271e-01 -7.605515271e-01 -7.746068718e-01 -7.746068718e-01 8.612649554e+01 8.612649554e+01 2.16 6.943724263e+00 6.943724263e+00 5.020400939e+01 5.020400939e+01 -1.051151472e+00 -1.051151472e+00 -1.064203662e+00 -1.064203662e+00 6.943632571e+01 6.943632571e+01 2.18 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